4,4-dimethylpentan-2-imine

C7H15N — CID 59728502

IUPAC4,4-dimethylpentan-2-imine
SMILES[H]/N=C(\C)CC(C)(C)C
InChIInChI=1S/C7H15N/c1-6(8)5-7(2,3)4/h8H,5H2,1-4H3/b8-6+
InChIKeyGZFVXCULUYRYAC-SOFGYWHQSA-N
MW113.20 g/mol
LogP2.46
Rot. Bonds1

About 4,4-dimethylpentan-2-imine

4,4-dimethylpentan-2-imine (PubChem CID 59728502) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 4,4-dimethylpentan-2-imine.

Molecular Properties

Compound Name4,4-dimethylpentan-2-imine
PubChem CID59728502
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name4,4-dimethylpentan-2-imine
SMILES[H]/N=C(\C)CC(C)(C)C
InChIInChI=1S/C7H15N/c1-6(8)5-7(2,3)4/h8H,5H2,1-4H3/b8-6+
InChIKeyGZFVXCULUYRYAC-SOFGYWHQSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentan-2-imine?
The IUPAC name of 4,4-dimethylpentan-2-imine (CID 59728502) is 4,4-dimethylpentan-2-imine.
What is the SMILES notation for 4,4-dimethylpentan-2-imine?
The canonical SMILES for 4,4-dimethylpentan-2-imine is [H]/N=C(\C)CC(C)(C)C.
What is the InChIKey of 4,4-dimethylpentan-2-imine?
The InChIKey is GZFVXCULUYRYAC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H15N/c1-6(8)5-7(2,3)4/h8H,5H2,1-4H3/b8-6+.
What are the key properties of 4,4-dimethylpentan-2-imine?
4,4-dimethylpentan-2-imine has a molecular weight of 113.20 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentan-2-imine is sourced from PubChem (CID 59728502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).